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Showing metabocard for Methyl N,N-dimethylanthranilate (HMDB0303257)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 00:33:32 UTC
Update Date2021-09-24 00:33:33 UTC
HMDB IDHMDB0303257
Secondary Accession NumbersNone
Metabolite Identification
Common NameMethyl N,N-dimethylanthranilate
DescriptionMethyl n,n-dimethylanthranilate is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Methyl n,n-dimethylanthranilate is slightly soluble (in water) and a moderately basic compound (based on its pKa). Methyl n,n-dimethylanthranilate is a fruity, leaf, and orange tasting compound found in fig, which makes methyl n,n-dimethylanthranilate a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0303257 (Methyl N,N-dimethylanthranilate)


  Mrv0541 02241221512D          

 13 13  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
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3D MOL for HMDB0303257 (Methyl N,N-dimethylanthranilate)

HMDB0303257
     RDKit          3D
Methyl N,N-dimethylanthranilate
 26 26  0  0  0  0  0  0  0  0999 V2000
    3.7365   -1.1590   -0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7337   -0.1750   -0.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   -0.4501   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0741   -1.6073    0.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4380    0.6374   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    1.9501   -0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0169    3.0104   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3281    2.8394   -0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892    1.5658    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9105    0.4660    0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361   -0.8388    0.2695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4748   -1.7403   -0.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259   -1.2714    1.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2325   -2.1194   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4699   -0.8823    0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1803   -1.2195   -1.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.0813   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946    3.9960   -0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0262    3.6929   -0.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8366    1.3666    0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8815   -1.3460   -1.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2386   -2.7985   -0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5470   -1.7961   -1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0240   -1.2489    1.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384   -2.3074    1.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5329   -0.6458    2.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10  5  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
 12 21  1  0
 12 22  1  0
 12 23  1  0
 13 24  1  0
 13 25  1  0
 13 26  1  0
M  END
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3D SDF for HMDB0303257 (Methyl N,N-dimethylanthranilate)


  Mrv0541 02241221512D          

 13 13  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303257

> <DATABASE_NAME>
hmdb

> <SMILES>
COC(=O)C1=CC=CC=C1N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H13NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h4-7H,1-3H3

> <INCHI_KEY>
ZCNSBHAIPOWHJE-UHFFFAOYSA-N

> <FORMULA>
C10H13NO2

> <MOLECULAR_WEIGHT>
179.2157

> <EXACT_MASS>
179.094628665

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
19.27886589052146

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 2-(dimethylamino)benzoate

> <ALOGPS_LOGP>
2.01

> <JCHEM_LOGP>
2.084766638666667

> <ALOGPS_LOGS>
-1.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.5399036877963537

> <JCHEM_POLAR_SURFACE_AREA>
29.54

> <JCHEM_REFRACTIVITY>
52.51190000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.88e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 2-(dimethylamino)benzoate

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0303257 (Methyl N,N-dimethylanthranilate)

HMDB0303257
     RDKit          3D
Methyl N,N-dimethylanthranilate
 26 26  0  0  0  0  0  0  0  0999 V2000
    3.7365   -1.1590   -0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7337   -0.1750   -0.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   -0.4501   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0741   -1.6073    0.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4380    0.6374   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    1.9501   -0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0169    3.0104   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3281    2.8394   -0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892    1.5658    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9105    0.4660    0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361   -0.8388    0.2695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4748   -1.7403   -0.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259   -1.2714    1.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2325   -2.1194   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4699   -0.8823    0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1803   -1.2195   -1.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.0813   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946    3.9960   -0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0262    3.6929   -0.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8366    1.3666    0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8815   -1.3460   -1.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2386   -2.7985   -0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5470   -1.7961   -1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0240   -1.2489    1.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384   -2.3074    1.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5329   -0.6458    2.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10  5  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
 12 21  1  0
 12 22  1  0
 12 23  1  0
 13 24  1  0
 13 25  1  0
 13 26  1  0
M  END
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PDB for HMDB0303257 (Methyl N,N-dimethylanthranilate)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -1.334   2.310   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2    4                                                       
CONECT    4    3                                                            
CONECT    5    2    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    5   11                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END
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3D PDB for HMDB0303257 (Methyl N,N-dimethylanthranilate)

COMPND    HMDB0303257
HETATM    1  C1  UNL     1       3.736  -1.159  -0.287  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.734  -0.175  -0.312  1.00  0.00           O  
HETATM    3  C2  UNL     1       1.394  -0.450  -0.077  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.074  -1.607   0.163  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.438   0.637  -0.126  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.878   1.950  -0.351  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.017   3.010  -0.373  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.328   2.839  -0.175  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.789   1.566   0.047  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.910   0.466   0.071  1.00  0.00           C  
HETATM   11  N1  UNL     1      -1.436  -0.839   0.269  1.00  0.00           N  
HETATM   12  C9  UNL     1      -1.475  -1.740  -0.845  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.926  -1.271   1.552  1.00  0.00           C  
HETATM   14  H1  UNL     1       3.233  -2.119  -0.001  1.00  0.00           H  
HETATM   15  H2  UNL     1       4.470  -0.882   0.495  1.00  0.00           H  
HETATM   16  H3  UNL     1       4.180  -1.220  -1.301  1.00  0.00           H  
HETATM   17  H4  UNL     1       1.942   2.081  -0.507  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.395   3.996  -0.548  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.026   3.693  -0.191  1.00  0.00           H  
HETATM   20  H7  UNL     1      -2.837   1.367   0.210  1.00  0.00           H  
HETATM   21  H8  UNL     1      -0.881  -1.346  -1.699  1.00  0.00           H  
HETATM   22  H9  UNL     1      -1.239  -2.798  -0.600  1.00  0.00           H  
HETATM   23  H10 UNL     1      -2.547  -1.796  -1.225  1.00  0.00           H  
HETATM   24  H11 UNL     1      -3.024  -1.249   1.639  1.00  0.00           H  
HETATM   25  H12 UNL     1      -1.538  -2.307   1.777  1.00  0.00           H  
HETATM   26  H13 UNL     1      -1.533  -0.646   2.393  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3
CONECT    3    4    4    5
CONECT    5    6    6   10
CONECT    6    7   17
CONECT    7    8    8   18
CONECT    8    9   19
CONECT    9   10   10   20
CONECT   10   11
CONECT   11   12   13
CONECT   12   21   22   23
CONECT   13   24   25   26
END
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SMILES for HMDB0303257 (Methyl N,N-dimethylanthranilate)

COC(=O)C1=CC=CC=C1N(C)C
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INCHI for HMDB0303257 (Methyl N,N-dimethylanthranilate)

InChI=1S/C10H13NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h4-7H,1-3H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Methyl 2-(dimethylamino)benzoic acidGenerator
Methyl N,N-dimethylanthranilic acidGenerator
Chemical FormulaC10H13NO2
Average Molecular Weight179.2157
Monoisotopic Molecular Weight179.094628665
IUPAC Namemethyl 2-(dimethylamino)benzoate
Traditional Namemethyl 2-(dimethylamino)benzoate
CAS Registry NumberNot Available
SMILES
COC(=O)C1=CC=CC=C1N(C)C
InChI Identifier
InChI=1S/C10H13NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h4-7H,1-3H3
InChI KeyZCNSBHAIPOWHJE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentBenzoic acid esters
Alternative Parents
Substituents
  • Aminobenzoic acid or derivatives
  • Benzoate ester
  • Benzoyl
  • Tertiary aliphatic/aromatic amine
  • Dialkylarylamine
  • Aniline or substituted anilines
  • Vinylogous amide
  • Methyl ester
  • Tertiary amine
  • Amino acid or derivatives
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP2.01ALOGPS
logP2.08ChemAxon
logS-1.3ALOGPS
pKa (Strongest Basic)1.54ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area29.54 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity52.51 m³·mol⁻¹ChemAxon
Polarizability19.28 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+138.55132859911
AllCCS[M+H-H2O]+134.28632859911
AllCCS[M+Na]+143.66832859911
AllCCS[M+NH4]+142.52332859911
AllCCS[M-H]-139.26332859911
AllCCS[M+Na-2H]-140.25532859911
AllCCS[M+HCOO]-141.41932859911
DeepCCS[M+H]+141.46130932474
DeepCCS[M-H]-139.0530932474
DeepCCS[M-2H]-174.32430932474
DeepCCS[M+Na]+149.38530932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 10V, Positive-QTOFsplash10-001i-0900000000-2d5eb16dd91b480e1c772016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 20V, Positive-QTOFsplash10-001i-0900000000-7980e86084c05a5c56792016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 40V, Positive-QTOFsplash10-0udi-9600000000-aae3d95b276007b243612016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 10V, Negative-QTOFsplash10-004i-0900000000-845fdc25bc03040b9acf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 20V, Negative-QTOFsplash10-004i-0900000000-39b8f6e4ceedef83e4772016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 40V, Negative-QTOFsplash10-003s-1900000000-6de06e93c6767b086f442016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 10V, Positive-QTOFsplash10-0002-0900000000-1948f0cfda7ae612b31e2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 20V, Positive-QTOFsplash10-0002-0900000000-462d1cca24c7830886ac2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 40V, Positive-QTOFsplash10-0ir3-9500000000-2d3644d67662de1e33d62021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 10V, Negative-QTOFsplash10-004i-0900000000-e9e4d0ba83478e578c422021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 20V, Negative-QTOFsplash10-00di-0900000000-f3ccd7ac9360450a04812021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methyl N,N-dimethylanthranilate 40V, Negative-QTOFsplash10-0udi-4900000000-f6bf9bb49aeb130918002021-10-21Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB009827
KNApSAcK IDC00056327
Chemspider ID74307
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available